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Synthetic aroma chemicals

Pentyl hexanoate

Also known as n-Amyl caproate, Hexanoic acid, pentyl ester, Pentyl caproate

CAS 540-07-8Formula C11H22O2Molar mass 186.30 g/molEC 208-732-4
GHS signal word: Warning. Pictograms: Harmful or irritant 1 supplier listed
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Pentyl hexanoate chemical structure, C11H22O2, CAS 540-07-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
540-07-8
Formula
C11H22O2
Molar mass
186.30 g/mol
EC number
208-732-4
HS code
291590
Category
Synthetic aroma chemicals

What is Pentyl hexanoate?

Plain description, key identifiers and synonyms

Valeryl hexanoate is a fatty acid ester.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
pentyl hexanoate
CAS number
540-07-8 CAS number cross-checked
EC number
208-732-4
Molecular formula
C11H22O2
UNII
5M61M1AL1H
MDL number
MFCD00027281
INCI name
AMYL HEXANOATE
InChIKey
WRFZKAGPPQGDDQ-UHFFFAOYSA-N
InChI
InChI=1S/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3
SMILES (canonical and isomeric)
CCCCCC(=O)OCCCCC

Synonyms

  • n-Amyl caproate
  • Hexanoic acid, pentyl ester
  • Pentyl caproate
  • Hexanoic Acid Pentyl Ester
  • valeryl hexanoate
  • Pentyl ester hexanoic acid
  • n-Amyl n-hexanoate
  • WE(5:0/6:0)
  • Hexanoic Acid Amyl Ester
  • n-Caproic acid n-amyl ester
  • n-Amyl n-hexan

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
186.30 g/molcalc.
Exact mass
186.162 Dacalc.
LogP (octanol/water)
3.3calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
8calc.
Heavy atoms
13calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.91calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
Precautionary statements (9)
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Pentyl hexanoate suppliers

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Where suppliers are based

1 supplier in 1 country

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Pentyl hexanoate price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Cosmetic ingredient, INCI name AMYL HEXANOATE(perfuming)

Functional uses

  • Flavouring and nutrient
  • Fragrance

Cosmetic functions

  • Perfuming

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Pentyl hexanoate is traded under.

HS 2915.90Indicative HS code

Saturated acyclic monocarboxylic acids, anhydrides, halides, peroxides, peroxyacids and halogenated…

World exports in 2024
$3.42B
+5.6% vs 2023, imports $3.55B
2019 to 2024
Top exporters
  1. Indonesia15.9%
  2. Germany13.0%
  3. Malaysia12.4%
Top importers
  1. China14.4%
  2. Netherlands11.7%
  3. United States11.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Pentyl hexanoate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Pentyl hexanoate, based on the data on this page

What is Pentyl hexanoate?

Valeryl hexanoate is a fatty acid ester.

What is the CAS number of Pentyl hexanoate?

The CAS registry number of Pentyl hexanoate is 540-07-8.

What is the molecular formula and weight of Pentyl hexanoate?

The molecular formula of Pentyl hexanoate is C11H22O2 and its molar mass is 186.30 g/mol.

What is Pentyl hexanoate used for?

Known uses and roles of Pentyl hexanoate include fragrance ingredients in cosmetics and personal care, fragrance ingredients in flavors and fragrances, esters and lactones in flavors and fragrances, perfuming, flavouring and nutrient and 1 more.

Is Pentyl hexanoate hazardous?

Pentyl hexanoate carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Pentyl hexanoate?

Pentyl hexanoate is usually classified under HS code 291590 (Saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pentyl hexanoate?

CompoundList lists 1 supplier of Pentyl hexanoate in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Pentyl hexanoate?

Suppliers quote Pentyl hexanoate on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Pentyl hexanoate

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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